[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol

C11H16N2OS — CID 62254275

IUPAC[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol
SMILESCN(c1cccc(CO)n1)C1CCSC1
InChIInChI=1S/C11H16N2OS/c1-13(10-5-6-15-8-10)11-4-2-3-9(7-14)12-11/h2-4,10,14H,5-8H2,1H3
InChIKeyCVKSBYZKIBGCQX-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.52
Rot. Bonds3

About [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol

[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol (PubChem CID 62254275) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol
PubChem CID62254275
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol
SMILESCN(c1cccc(CO)n1)C1CCSC1
InChIInChI=1S/C11H16N2OS/c1-13(10-5-6-15-8-10)11-4-2-3-9(7-14)12-11/h2-4,10,14H,5-8H2,1H3
InChIKeyCVKSBYZKIBGCQX-UHFFFAOYSA-N
XLogP1.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol?
The IUPAC name of [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol (CID 62254275) is [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol is CN(c1cccc(CO)n1)C1CCSC1.
What is the InChIKey of [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol?
The InChIKey is CVKSBYZKIBGCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-13(10-5-6-15-8-10)11-4-2-3-9(7-14)12-11/h2-4,10,14H,5-8H2,1H3.
What are the key properties of [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol?
[6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol has a molecular weight of 224.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(thiolan-3-yl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 62254275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).